SCHEMBL4674635

SCHEMBL4674635

O=C(C=C(O)c1nc[nH]n1)c1coc(Oc2cccc(Cl)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
NAAA Q02083 1/20 0.34
CHEK2 O96017 1/20 0.33
HAO1 Q9UJM8 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ABL1 P00519 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
PDE4B Q07343 1/20 0.32
GRM5 P41594 1/20 0.32
FKBP1A P62942 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PTPN1 P18031 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4671834 0.90 NFE2L2 (0.33) LMNACYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL4679243 0.89 CDH1 (0.37) LMNACHEK2MAPTKDM4E
SCHEMBL4673485 0.88 LMNA (0.38) LMNAHAO1MRGPRX4ALDH1A1MAPT
SCHEMBL4676759 0.85 KDM4E (0.38) CHEK2MRGPRX4ALDH1A1MAPTNR4A2
SCHEMBL4677855 0.85 ALDH1A1 (0.43) LMNARXRARXRBRXRGHAO1
SCHEMBL4675460 0.83 LMNA (0.35) LMNARXRARXRBRXRGNAAA
SCHEMBL4673558 0.83 KMT2A (0.34) RXRARXRBNPSR1ABL1KDM4C
SCHEMBL4676117 0.82 PARP10 (0.32) CHEK2
SCHEMBL4671237 0.82 NR4A2 (0.38) CHEK2NPSR1CYP1A2CYP2C19ALDH1A1
SCHEMBL4674128 0.82 MAPT (0.37) LMNANPSR1ALDH1A1MAPTMAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142872-B1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO (JP) 2008-10-15 EP disclosed
US-7098201-B2 Heteroaromatic derivatives having an inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2006-08-29 US disclosed
US-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase FUJISHITA TOSHIO (JP) 2004-01-01 US disclosed
US-6645956-B1 1-(5-(4-fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3 -yl)-propenone; viricides; AIDS treatment SHIONOGI & CO., LTD. (JP) 2003-11-11 US disclosed
EP-1142872-A1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO., LTD. (JP) 2001-10-10 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase RCOR1, BCOR, CYP8B1 LMNA 659/4885RXRA 1268/4885RXRB 1235/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.